4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide

C16H18N4 — CID 54507850

IUPAC4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(c2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H18N4/c17-16(18)20-11-10-19(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)20/h1-9H,10-12H2,(H3,17,18)
InChIKeyYGZDFCLVLCBQOZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.41
Rot. Bonds1

About 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide

4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide (PubChem CID 54507850) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide.

Molecular Properties

Compound Name4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide
PubChem CID54507850
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(c2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H18N4/c17-16(18)20-11-10-19(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)20/h1-9H,10-12H2,(H3,17,18)
InChIKeyYGZDFCLVLCBQOZ-UHFFFAOYSA-N
XLogP2.41
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 63776820
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CID 21276884
4-naphthalen-1-ylpiperazine-1-carboximidamide
CID 4741231
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CID 21446127
2-[(4-phenylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24705262
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbenzenecarboximidamide
CID 81278399
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbenzenecarboximidamide
CID 81268554
1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid
CID 174655862
4-cyclohepta[d]imidazol-2-ylpiperazine-1-carboximidamide;trihydrate;hydroiodide
CID 20507741
2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)benzenecarboximidamide
CID 62502771
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide?
The IUPAC name of 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide (CID 54507850) is 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide.
What is the SMILES notation for 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide?
The canonical SMILES for 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide is [H]/N=C(\N)N1CCN(c2ccccc2)Cc2ccccc21.
What is the InChIKey of 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide?
The InChIKey is YGZDFCLVLCBQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-16(18)20-11-10-19(14-7-2-1-3-8-14)12-13-6-4-5-9-15(13)20/h1-9H,10-12H2,(H3,17,18).
What are the key properties of 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide?
4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide has a molecular weight of 266.35 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-1-carboximidamide is sourced from PubChem (CID 54507850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).